2-methyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide

C12H18N4O2S — CID 120972465

IUPAC2-methyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide
SMILESCc1cc(CNC2=NCC(C)N2)ccc1S(N)(=O)=O
InChIInChI=1S/C12H18N4O2S/c1-8-5-10(3-4-11(8)19(13,17)18)7-15-12-14-6-9(2)16-12/h3-5,9H,6-7H2,1-2H3,(H2,13,17,18)(H2,14,15,16)
InChIKeyHGYNTMBQKJXPJZ-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.08
Rot. Bonds3

About 2-methyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide

2-methyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide (PubChem CID 120972465) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-methyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide
PubChem CID120972465
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name2-methyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide
SMILESCc1cc(CNC2=NCC(C)N2)ccc1S(N)(=O)=O
InChIInChI=1S/C12H18N4O2S/c1-8-5-10(3-4-11(8)19(13,17)18)7-15-12-14-6-9(2)16-12/h3-5,9H,6-7H2,1-2H3,(H2,13,17,18)(H2,14,15,16)
InChIKeyHGYNTMBQKJXPJZ-UHFFFAOYSA-N
XLogP0.08
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide?
The IUPAC name of 2-methyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide (CID 120972465) is 2-methyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide is Cc1cc(CNC2=NCC(C)N2)ccc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide?
The InChIKey is HGYNTMBQKJXPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-8-5-10(3-4-11(8)19(13,17)18)7-15-12-14-6-9(2)16-12/h3-5,9H,6-7H2,1-2H3,(H2,13,17,18)(H2,14,15,16).
What are the key properties of 2-methyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide?
2-methyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide has a molecular weight of 282.37 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 120972465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).